bis(1H-pyrrol-2-yl)azanium

C8H10N3+ — CID 163746380

IUPACbis(1H-pyrrol-2-yl)azanium
SMILESc1c[nH]c([NH2+]c2ccc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H/p+1
InChIKeyLMFWIWIUUWZBHG-UHFFFAOYSA-O
MW148.19 g/mol
LogP0.87
Rot. Bonds2

About bis(1H-pyrrol-2-yl)azanium

bis(1H-pyrrol-2-yl)azanium (PubChem CID 163746380) has the molecular formula C8H10N3+ and a molecular weight of 148.19 g/mol. Its IUPAC name is bis(1H-pyrrol-2-yl)azanium.

Molecular Properties

Compound Namebis(1H-pyrrol-2-yl)azanium
PubChem CID163746380
Molecular FormulaC8H10N3+
Molecular Weight148.19 g/mol
Exact Mass148.09
IUPAC Namebis(1H-pyrrol-2-yl)azanium
SMILESc1c[nH]c([NH2+]c2ccc[nH]2)c1
InChIInChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H/p+1
InChIKeyLMFWIWIUUWZBHG-UHFFFAOYSA-O
XLogP0.87
TPSA48.19 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze bis(1H-pyrrol-2-yl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1H-pyrrol-2-yl)azanium?
The IUPAC name of bis(1H-pyrrol-2-yl)azanium (CID 163746380) is bis(1H-pyrrol-2-yl)azanium.
What is the SMILES notation for bis(1H-pyrrol-2-yl)azanium?
The canonical SMILES for bis(1H-pyrrol-2-yl)azanium is c1c[nH]c([NH2+]c2ccc[nH]2)c1.
What is the InChIKey of bis(1H-pyrrol-2-yl)azanium?
The InChIKey is LMFWIWIUUWZBHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3/c1-3-7(9-5-1)11-8-4-2-6-10-8/h1-6,9-11H/p+1.
What are the key properties of bis(1H-pyrrol-2-yl)azanium?
bis(1H-pyrrol-2-yl)azanium has a molecular weight of 148.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrrol-2-yl)azanium is sourced from PubChem (CID 163746380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).